Computational approaches streamlining drug discovery

AV Sadybekov, V Katritch - Nature, 2023 - nature.com
Computer-aided drug discovery has been around for decades, although the past few years
have seen a tectonic shift towards embracing computational technologies in both academia …

[HTML][HTML] Canalization and plasticity in psychopathology

RL Carhart-Harris, S Chandaria, DE Erritzoe… - …, 2023 - Elsevier
This theoretical article revives a classical bridging construct, canalization, to describe a new
model of a general factor of psychopathology. To achieve this, we have distinguished …

Psychedelics promote plasticity by directly binding to BDNF receptor TrkB

R Moliner, M Girych, CA Brunello, V Kovaleva… - Nature …, 2023 - nature.com
Psychedelics produce fast and persistent antidepressant effects and induce neuroplasticity
resembling the effects of clinically approved antidepressants. We recently reported that …

Identification of 5-HT2A receptor signaling pathways associated with psychedelic potential

J Wallach, AB Cao, MM Calkins, AJ Heim… - Nature …, 2023 - nature.com
Serotonergic psychedelics possess considerable therapeutic potential. Although 5-HT2A
receptor activation mediates psychedelic effects, prototypical psychedelics activate both 5 …

Drugclip: Contrasive protein-molecule representation learning for virtual screening

B Gao, B Qiang, H Tan, Y Jia, M Ren… - Advances in …, 2024 - proceedings.neurips.cc
Virtual screening, which identifies potential drugs from vast compound databases to bind
with a particular protein pocket, is a critical step in AI-assisted drug discovery. Traditional …

Mechanisms and molecular targets surrounding the potential therapeutic effects of psychedelics

AM Jaster, J González-Maeso - Molecular psychiatry, 2023 - nature.com
Psychedelics, also known as classical hallucinogens, have been investigated for decades
due to their potential therapeutic effects in the treatment of neuropsychiatric and substance …

Ligand recognition and G-protein coupling of trace amine receptor TAAR1

Z Xu, L Guo, J Yu, S Shen, C Wu, W Zhang, C Zhao… - Nature, 2023 - nature.com
Trace-amine-associated receptors (TAARs), a group of biogenic amine receptors, have
essential roles in neurological and metabolic homeostasis. They recognize diverse …

Serotonin 2A Receptor (5-HT2AR) Agonists: Psychedelics and Non-Hallucinogenic Analogues as Emerging Antidepressants

W Duan, D Cao, S Wang, J Cheng - Chemical Reviews, 2023 - ACS Publications
Psychedelics make up a group of psychoactive compounds that induce hallucinogenic
effects by activating the serotonin 2A receptor (5-HT2AR). Clinical trials have demonstrated …

Recognition of methamphetamine and other amines by trace amine receptor TAAR1

H Liu, Y Zheng, Y Wang, Y Wang, X He, P Xu, S Huang… - Nature, 2023 - nature.com
Trace amine-associated receptor 1 (TAAR1), the founding member of a nine-member family
of trace amine receptors, is responsible for recognizing a range of biogenic amines in the …

5-HT2ARs mediate therapeutic behavioral effects of psychedelic tryptamines

LP Cameron, SD Patel, MV Vargas… - ACS chemical …, 2023 - ACS Publications
Psychedelic compounds have displayed antidepressant potential in both humans and
rodents. Despite their promise, psychedelics can induce undesired effects that pose safety …